Modelling the self-assembly of silica-based mesoporous materials

References

• Barton TJ, Bull LM, Klemperer WG, et al. Tailored porous materials. Chem Mater. 1999;11:2633–2656.10.1021/cm9805929
   Web of Science ®Google Scholar
• Beck JS, Vartuli JC, Roth WJ, et al. A new family of mesoporous molecular sieves prepared with liquid crystal templates. J Am Chem Soc. 1992;114:10834–10843.10.1021/ja00053a020
   Web of Science ®Google Scholar
• Kresge CT. Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism. Nature. 1992;359:710–712.10.1038/359710a0
   Web of Science ®Google Scholar
• Di Renzo F, Cambon H, Dutartre R. A 28-year-old synthesis of micelle-templated mesoporous silica. Microporous Mater. 1997;10:283–286.10.1016/S0927-6513(97)00028-X
   Google Scholar
• Chiola V, Ritsko JE, Vanderpool CD. Process for producing low-bulk density silica. US Patent (1971) 3556725.
   Google Scholar
• Zhou H-C, Kitagawa S. Metal-organic frameworks (MOFs). Chem Soc Rev. 2014;43:5415–5418.10.1039/C4CS90059F
   PubMed Web of Science ®Google Scholar
• Huo Q, Margolese DI, Ciesla U, et al. Organization of organic molecules with inorganic molecular species into nanocomposite biphase arrays. Chem Mater. 1994;6:1176–1191.10.1021/cm00044a016
   Web of Science ®Google Scholar
• Zhao D, Feng J, Huo Q, et al. Triblock copolymer syntheses of mesoporous silica with periodic 50 to 300 Angstrom pores. Science. 1998;279:548–552.10.1126/science.279.5350.548
   PubMed Web of Science ®Google Scholar
• Tanev PT, Pinnavaia TJ. A neutral templating route to mesoporous molecular sieves. Science. 1995;267:865–867.10.1126/science.267.5199.865
   PubMed Web of Science ®Google Scholar
• Tanev PT, Pinnavaia TJ. Biomimetic templating of porous lamellar silicas by vesicular surfactant assemblies. Science. 1996;271:1267–1269.10.1126/science.271.5253.1267
   Web of Science ®Google Scholar
• Asefa T, MacLachlan MJ, Coombs N, et al. Periodic mesoporous organosilicas with organic groups inside the channel walls. Nature. 1999;402:867–871.
   Web of Science ®Google Scholar
• Melde BJ, Holland BT, Blanford CF, et al. Mesoporous sieves with unified hybrid inorganic/organic frameworks. Chem Mater. 1999;11:3302–3308.10.1021/cm9903935
   Web of Science ®Google Scholar
• Inagaki S, Guan S, Fukushima Y, et al. Novel mesoporous materials with a uniform distribution of organic groups and inorganic oxide in their frameworks. J Am Chem Soc. 1999;121:9611–9614.10.1021/ja9916658
   Web of Science ®Google Scholar
• Ying JY, Mehnert CP, Wong MS. Synthesis and applications of supramolecular-templated mesoporous materials. Angew Chem Int Ed. 1999;38:56–77.10.1002/(ISSN)1521-3773
   Web of Science ®Google Scholar
• Slowing II, Trewyn BG, Giri S, et al. Mesoporous silica nanoparticles for drug delivery and biosensing applications. Adv Func Mater. 2007;17:1225–1236.10.1002/(ISSN)1616-3028
   Web of Science ®Google Scholar
• Auerbach SM, Fan W, Monson PA. Modelling the assembly of nanoporous silica materials. Int Rev Phys Chem. 2015;34:35–70.10.1080/0144235X.2014.988038
   Web of Science ®Google Scholar
• Siperstein FR, Gubbins KE. Synthesis and characterization of templated mesoporous materials using molecular simulation. Mol Simul. 2001;27:339–352.10.1080/08927020108031357
   Web of Science ®Google Scholar
• Blin JL, Impéror-Clerc M. Mechanism of self-assembly in the synthesis of silica mesoporous materials: in situ studies by X-ray and neutron scattering. Chem Soc Rev. 2013;42:4071–4082.10.1039/C2CS35362H
   PubMed Web of Science ®Google Scholar
• Hoffmann F, Cornelius M, Morell J, et al. Silica-based mesoporous organic-inorganic hybrid materials. Angew Chem Int Ed. 2006;45:3216–3251.10.1002/(ISSN)1521-3773
   PubMed Web of Science ®Google Scholar
• Iler RK. Chemistry of silica. New York (NY): Wiley-Interscience; 1979.
   Google Scholar
• Chen CY, Burkett SL, Li HX, et al. Studies on mesoporous materials II. Synthesis mechanism of MCM-41. Microporous Mater. 1993;2:27–34.10.1016/0927-6513(93)80059-4
   Google Scholar
• Monnier A, Schuth F, Huo Q, et al. Cooperative formation of inorganic-organic interfaces in the synthesis of silicate mesostructures. Science. 1993;261:1299–1303.10.1126/science.261.5126.1299
   PubMed Web of Science ®Google Scholar
• Firouzi A, Atef F, Oertli AG, et al. Alkaline lyotropic silicate−surfactant liquid crystals. J Am Chem Soc. 1997;119:3596–3610.10.1021/ja963007i
   Web of Science ®Google Scholar
• Lee YS, Surjadi D, Rathman JF. Effects of aluminate and silicate on the structure of quaternary ammonium surfactant aggregates. Langmuir. 1996;12:6202–6210.10.1021/la960054f
   Web of Science ®Google Scholar
• Albuquerque A, Vautier-Giongo C, Pastore HE. Physical chemistry of nanostructured molecular sieves by the study of phase diagrams: the case of the cetyltrimethylammonium bromide-tetramethylammonium silicate-water system. J Colloid Interface Sci. 2005;284:687–693.10.1016/j.jcis.2004.10.065
   PubMed Web of Science ®Google Scholar
• Vautier-Giongo C, Pastore HE. Micellization of CTAB in the presence of silicate anions and the exchange between bromide and silicate at the micelle surface: a step to understand the formation of mesoporous molecular sieves at extremely low surfactant and silicate concentrations. J Colloid Interface Sci. 2006;299:874–882.10.1016/j.jcis.2006.02.040
   PubMed Web of Science ®Google Scholar
• Vartuli JC, Schmitt KD, Kresge CT, et al. Effect of surfactant/silica molar ratios on the formation of mesoporous molecular sieves: inorganic mimicry of surfactant liquid-crystal phases and mechanistic implications. Chem Mater. 1994;6:2317–2326.10.1021/cm00048a018
   Web of Science ®Google Scholar
• Zana R, Frasch J, Soulard M, et al. Fluorescence probing investigations of the mechanism of formation of organized mesoporous silica. Langmuir. 1999;15:2603–2606.10.1021/la981603f
   Web of Science ®Google Scholar
• Frasch J, Lebeau B, Soulard M, et al. In situ investigations on cetyltrimethylammonium surfactant/silicate systems, precursors of organized mesoporous MCM-41-type siliceous materials. Langmuir. 2000;16:9049–9057.10.1021/la000295u
   Web of Science ®Google Scholar
• Galarneau A, Renzo F, Fajula F, et al. Kinetics of formation of micelle-templated silica mesophases monitored by electron paramagnetic resonance. J Colloid Interface Sci. 1998;201:105–117.10.1006/jcis.1998.5413
   Web of Science ®Google Scholar
• Baute D, Frydman V, Zimmermann H, et al. Properties of the silica layer during the formation of MCM-41 studied by EPR of a silica-bound spin probe. J Phys Chem B. 2005;109:7807–7816.10.1021/jp044538t
   PubMed Web of Science ®Google Scholar
• Regev O. Nucleation events during the synthesis of mesoporous materials using liquid crystalline templating. Langmuir. 1996;12:4940–4944.10.1021/la9602372
   Web of Science ®Google Scholar
• Sadasivan S, Fowler CE, Khushalani D, et al. Nucleation of MCM-41 nanoparticles by internal reorganization of disordered and nematic-like silica–surfactant clusters. Angew Chem Int Ed. 2002;41:2151–2153.10.1002/1521-3773(20020617)41:12<2151::AID-ANIE2151>3.0.CO;2-U
   PubMed Web of Science ®Google Scholar
• Beurroies I, Ågren P, Büchel G, et al. Detailed in situ XRD and calorimetric study of the formation of silicate/mixed surfactant mesophases under alkaline conditions. Influence of surfactant chain length and synthesis temperature. J Phys Chem B. 2006;110:16254–16260.10.1021/jp053746y
   PubMed Web of Science ®Google Scholar
• Feuston BP, Higgins JB. Model structures for MCM-41 materials: a molecular dynamics simulation. J Phys Chem. 1994;98:4459–4462.10.1021/j100067a037
   Web of Science ®Google Scholar
• Williams CD, Travis KP, Burton NA, et al. A new method for the generation of realistic atomistic models of siliceous MCM-41. Microporous Mesoporous Mater. 2016;228:215–223.10.1016/j.micromeso.2016.03.034
   Web of Science ®Google Scholar
• Koh CA, Montanari T, Nooney RI, et al. Experimental and computer simulation studies of the removal of carbon dioxide from mixtures with methane using AlPO 4-5 and MCM-41. Langmuir. 1999;15:6043–6049.10.1021/la9814337
   Web of Science ®Google Scholar
• Jing Y, Wei L, Wang Y, et al. Molecular simulation of MCM-41: structural properties and adsorption of CO2, N2 and flue gas. Chem Eng J. 2013;220:264–275.10.1016/j.cej.2012.12.078
   Web of Science ®Google Scholar
• Siperstein FR, Gubbins KE. Phase separation and liquid crystal self-assembly in surfactant-inorganic-solvent systems. Langmuir. 2003;19:2049–2057.10.1021/la026410d
   Web of Science ®Google Scholar
• Larson RG, Scriven LE, Davis HT. Monte Carlo simulation of model amphiphile–oil–water systems. J Chem Phys. 1985;83:2411–2420.10.1063/1.449286
   Web of Science ®Google Scholar
• Patti A, Mackie AD, Siperstein FR. Monte Carlo simulation of self-assembled ordered hybrid materials. Langmuir. 2007;23:6771–6780.10.1021/la063296 g
   PubMed Web of Science ®Google Scholar
• Patti A, Siperstein FR, Mackie AD. Phase behavior of model surfactants in the presence of hybrid particles. J Phys Chem C. 2007;111:16035–16044.10.1021/jp074486i
   Web of Science ®Google Scholar
• Patti A, Mackie AD, Zelenak V, et al. One-pot synthesis of amino functionalized mesoporous silica materials: using simulations to understand transitions between different structures. J Mater Chem. 2009;19:724–732.10.1039/B813016G
   Web of Science ®Google Scholar
• Patti A, Mackie AD, Siperstein FR. Monte Carlo simulations of self-assembling hexagonal and cage-like bifunctional periodic mesoporous materials. J Mater Chem. 2009;19:7848–7855.10.1039/b914537 k
   Web of Science ®Google Scholar
• Bhattacharya S, Gubbins KE. Modeling triblock surfactant-templated mesostructured cellular foams. J Chem Phys. 2005;123:134907.10.1063/1.2013250
   PubMed Web of Science ®Google Scholar
• Bhattacharya S, Coasne B, Hung FR, et al. Modeling micelle-templated mesoporous material SBA-15: atomistic model and gas adsorption studies. Langmuir. 2009;25:5802–5813.10.1021/la801560e
   PubMed Web of Science ®Google Scholar
• Jin L, Auerbach SM, Monson PA. Simulating the formation of surfactant-templated mesoporous silica materials: a model with both surfactant self-assembly and silica polymerization. Langmuir. 2013;29:766–780.10.1021/la304475j
   PubMed Web of Science ®Google Scholar
• Jorge M, Gomes JRB, Cordeiro MNDS, et al. Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicas. J Am Chem Soc. 2007;129:15414–15415.10.1021/ja075070 l
   PubMed Web of Science ®Google Scholar
• Jorgensen WL, Gao J. Monte Carlo simulations of the hydration of ammonium and carboxylate ions. J Phys Chem. 1986;90:2174–2182.10.1021/j100401a037
   Web of Science ®Google Scholar
• Berendsen HJC, Grigera JR, Straatsma TP. The missing term in effective pair potentials. J Phys Chem. 1987;91:6269–6271.10.1021/j100308a038
   Web of Science ®Google Scholar
• Pereira JCG, Catlow CRA, Price GD. Molecular dynamics simulation of methanolic and ethanolic silica-based sol-gel solutions at ambient temperature and pressure. J Phys Chem A. 2002;106:130–148.10.1021/jp010078 h
   Web of Science ®Google Scholar
• Gomes JRB, Cordeiro MNDS, Jorge M. Gas-phase molecular structure and energetics of anionic silicates. Geochim Cosmochim Acta. 2008;72:4421–4439.10.1016/j.gca.2008.06.012
   Web of Science ®Google Scholar
• Jorge M, Gomes JRB, Cordeiro MNDS, et al. Molecular dynamics simulation of the early stages of the synthesis of periodic mesoporous silica. J Phys Chem B. 2009;113:708–718.10.1021/jp806686w
   PubMed Web of Science ®Google Scholar
• Knight CTG. Are zeolite secondary building units really red herrings? Zeolites. 1990;10:140–144.10.1016/0144-2449(90)90036-Q
   Google Scholar
• Pérez-Sánchez G, Gomes JRB, Jorge M. Modeling self-assembly of silica/surfactant mesostructures in the templated synthesis of nanoporous solids. Langmuir. 2013;29:2387–2396.10.1021/la3046274
   PubMed Web of Science ®Google Scholar
• Marrink SJ, Risselada HJ, Yefimov S, et al. The MARTINI force field: coarse grained model for biomolecular simulations. J Phys Chem B. 2007;111:7812–7824.10.1021/jp071097f
   PubMed Web of Science ®Google Scholar
• Wu R, Deng M, Kong B, et al. Coarse-grained molecular dynamics simulation of ammonium surfactant self-assemblies: micelles and vesicles. J Phys Chem B. 2009;113:15010–15016.10.1021/jp906055d
   PubMed Web of Science ®Google Scholar
• Jorge M. Molecular dynamics simulation of self-assembly of n-decyltrimethylammonium bromide micelles. Langmuir. 2008;24:5714–5725.10.1021/la800291p
   PubMed Web of Science ®Google Scholar
• Chien S-C, Pérez-Sánchez G, Gomes JRB, et al. Molecular simulations of the synthesis of periodic mesoporous silica phases at high surfactant concentrations. J Phys Chem C. 2017;121:4564–4575.10.1021/acs.jpcc.6b09429
   Web of Science ®Google Scholar
• Pérez-Sánchez G, Chien S-C, Gomes JRB, et al. Multiscale model for the templated synthesis of mesoporous silica: the essential role of silica oligomers. Chem Mater. 2016;28:2715–2727.10.1021/acs.chemmater.6b00348
   Web of Science ®Google Scholar
• Auerbach SM, Ford MH, Monson PA. New insights into zeolite formation from molecular modeling. Curr Opin Colloid Interface Sci. 2005;10:220–225.10.1016/j.cocis.2005.09.012
   Web of Science ®Google Scholar
• Feuston BP, Garofalini SH. Empirical three-body potential for vitreous silica. J Chem Phys. 1988;89:5818–5824.10.1063/1.455531
   Web of Science ®Google Scholar
• Rao NZ, Gelb LD. Molecular dynamics simulations of the polymerization of aqueous silicic acid and analysis of the effects of concentration on silica polymorph distributions, growth mechanisms, and reaction kinetics. J Phys Chem B. 2004;108:12418–12428.10.1021/jp049169f
   Web of Science ®Google Scholar
• Jing Z, Xin L, Sun H. Replica exchange reactive molecular dynamics simulations of initial reactions in zeolite synthesis. Phys Chem Chem Phys. 2015;17:25421–25428.10.1039/C5CP03063C
   PubMedGoogle Scholar
• Wu MG, Deem MW. Monte Carlo study of the nucleation process during zeolite synthesis. J Chem Phys. 2002;116:2125–2137.10.1063/1.1430742
   Web of Science ®Google Scholar
• Zhang XQ, Trinh TT, van Santen RA, et al. Structure-directing role of counterions in the initial stage of zeolite synthesis. J Phys Chem C. 2011;115:9561–9567.10.1021/jp111911h
   Web of Science ®Google Scholar
• Zhang XQ, van Santen RA, Jansen APJ. Kinetic Monte Carlo modeling of silicate oligomerization and early gelation. Phys Chem Chem Phys. 2012;14:11969–11973.10.1039/c2cp41194f
   PubMed Web of Science ®Google Scholar
• McIntosh GJ. Theoretical investigations into the nucleation of silica growth in basic solution part II – derivation and benchmarking of a first principles kinetic model of solution chemistry. Phys Chem Chem Phys. 2013;15:17496–17509.10.1039/c3cp53223b
   PubMed Web of Science ®Google Scholar
• Tu Y, Tersoff J. Structure and energetics of the Si–SiO2 interface. Phys Rev Lett. 2000;84:4393–4396.10.1103/PhysRevLett.84.4393
   PubMed Web of Science ®Google Scholar
• Burlakov VM, Briggs GAD, Sutton AP, et al. Monte Carlo simulation of growth of porous SiOx by vapor deposition. Phys Rev Lett. 2001;86:3052–3055.10.1103/PhysRevLett.86.3052
   PubMed Web of Science ®Google Scholar
• Malani A, Auerbach SM, Monson PA. Probing the mechanism of silica polymerization at ambient temperatures using Monte Carlo simulations. J Phys Chem Lett. 2010;1:3219–3224.10.1021/jz101046y
   Web of Science ®Google Scholar
• Malani A, Auerbach SM, Monson PA. Monte Carlo simulations of silica polymerization and network formation. J Phys Chem C. 2011;115:15988–16000.10.1021/jp202209 g
   Web of Science ®Google Scholar
• Schumacher C, Gonzalez J, Wright PA, et al. Generation of atomistic models of periodic mesoporous silica by kinetic Monte Carlo simulation of the synthesis of the material. J Phys Chem B. 2006;110:319–333.10.1021/jp0551871
   PubMed Web of Science ®Google Scholar
• Ferreiro-Rangel CA, Lozinska MM, Wright PA, et al. Kinetic Monte Carlo simulation of the synthesis of periodic mesoporous silicas SBA-2 and STAC-1: generation of realistic atomistic models. J Phys Chem C. 2012;116:20966–20974.10.1021/jp307610a
   Web of Science ®Google Scholar
• Huo QS, Leon R, Petroff PM, et al. Mesostructure design with gemini surfactants: supercage formation in a three-dimensional hexagonal array. Science. 1995;268:1324–1327.10.1126/science.268.5215.1324
   PubMed Web of Science ®Google Scholar
• Zhou WZ, Hunter HMA, Wright PA, et al. Imaging the pore structure and polytypic intergrowths in mesoporous silica. J Phys Chem B. 1998;102:6933–6936.10.1021/jp982579 h
   Web of Science ®Google Scholar
• Bagshaw SA, Prouzet E, Pinnavaia TJ. Templating of mesoporous molecular sieves by nonionic polyethylene oxide surfactants. Science. 1995;269:1242–1244.10.1126/science.269.5228.1242
   PubMed Web of Science ®Google Scholar
• Ryoo R, Kim JM, Ko CH, et al. Disordered molecular sieve with branched mesoporous channel network. J Phys Chem. 1996;100:17718–17721.10.1021/jp9620835
   Web of Science ®Google Scholar
• Yu C, Yu Y, Zhao D. Highly ordered large caged cubic mesoporous silica structures templated by triblock PEO–PBO–PEO copolymer. Chem Commun. 2000;575–576.10.1039/b000603n
   Web of Science ®Google Scholar
• Che S, Garcia-Bennett AE, Yokoi T, et al. A novel anionic surfactant templating route for synthesizing mesoporous silica with unique structure. Nat Mater. 2003;2:801–805.10.1038/nmat1022
   PubMed Web of Science ®Google Scholar
• Alexandridis P, Alan Hatton TA. Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer surfactants in aqueous solutions and at interfaces: thermodynamics, structure, dynamics, and modeling. Colloids Surf, A. 1995;96:1–46.10.1016/0927-7757(94)03028-X
   Web of Science ®Google Scholar
• Impéror-Clerc M, Davidson P, Davidson A. Existence of a microporous corona around the mesopores of silica-based SBA-15 materials templated by triblock copolymers. J Am Chem Soc. 2000;122:11925–11933.10.1021/ja002245 h
   Web of Science ®Google Scholar
• Zholobenko VL, Khodakov AY, Impéror-Clerc M, et al. Initial stages of SBA-15 synthesis: an overview. Adv Coll Interface Sci. 2008;142:67–74.10.1016/j.cis.2008.05.003
   PubMed Web of Science ®Google Scholar
• Hezaveh S, Samanta S, Milano G, et al. Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents. J Chem Phys. 2012;136:124901.10.1063/1.3694736
   PubMed Web of Science ®Google Scholar
• Chen H, Wu Y, Tan Y, et al. MesoDyn and experimental approach to the structural fabrication and pore-size adjustment of SBA-15 molecular sieves. Adsorpt Sci Technol. 2009;27:579–592.
   Web of Science ®Google Scholar
• Yuan S, Zhang X, Chan K. Effects of shear and charge on the microphase formation of P123 polymer in the SBA-15 synthesis investigated by mesoscale simulations. Langmuir. 2009;25:2034–2045.10.1021/la8035133
   PubMed Web of Science ®Google Scholar
• Chen H, Wu Y, Tan Y, et al. Mesoscopic simulation of surfactant/silicate self-assembly in the mesophase formation of SBA-15 under charge matching interactions. Eur Polymer J. 2012;48:1892–1900.10.1016/j.eurpolymj.2012.08.005
   Web of Science ®Google Scholar
• Magee JE, Siperstein FR. Formation of ordered mesoporous materials under slow aggregation conditions. J Phys Chem C. 2009;113:1680–1685.10.1021/jp8071553
   Web of Science ®Google Scholar
• Lettow JS, Han YJ, Schmidt-Winkel P, et al. Hexagonal to mesocellular foam phase transition in polymer-templated mesoporous silicas. Langmuir. 2000;16:8291–8295.10.1021/la000660 h
   Web of Science ®Google Scholar
• Altevogt P, Evers OA, Fraaije JG, et al. The MesoDyn project: software for mesoscale chemical engineering. J Mol Struct (Thoechem). 1999;463:139–143.10.1016/S0166-1280(98)00403-5
   Web of Science ®Google Scholar
• Sumper M. A phase separation model for the nanopatterning of diatom biosilica. Science. 2002;295:2430–2433.10.1126/science.1070026
   PubMed Web of Science ®Google Scholar
• Gröger C, Lutz K, Brunner E. Biomolecular self-assembly and its relevance in silica biomineralization. Cell Biochem Biophys. 2008;50:23–39.10.1007/s12013-007-9003-2
   PubMed Web of Science ®Google Scholar
• Tanev PT, Pinnavaia TJ. Mesoporous silica molecular sieves prepared by ionic and neutral surfactant templating: a comparison of physical properties. Chem Mater. 1996;8:2068–2079.10.1021/cm950549a
   Web of Science ®Google Scholar
• Centi A, Jorge M. Molecular simulation study of the early stages of formation of bioinspired mesoporous silica materials. Langmuir. 2016;32:7228–7240.10.1021/acs.langmuir.6b01731
   PubMed Web of Science ®Google Scholar
• Centi A. Computational modelling and design of bioinspired silica materials [ PhD thesis]. University of Strathclyde; 2017.
   Google Scholar
• Malliaris A, Le Moigne J, Sturm J, et al. Temperature dependence of the micelle aggregation number and rate of intramicellar excimer formation in aqueous surfactant solutions. J Phys Chem. 1985;89:2709–2713.10.1021/j100258a054
   Web of Science ®Google Scholar
• Jorgensen WL, Maxwell DS, Tirado-Rives J. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc. 1996;118:11225–11236.10.1021/ja9621760
   Web of Science ®Google Scholar
• Zhang W, Pauly TR, Pinnavaia TJ. Tailoring the framework and textural mesopores of HMS molecular sieves through an electrically neutral (SI) assembly pathway. Chem Mater. 1997;9:2491–2498.10.1021/cm970354y
   Web of Science ®Google Scholar
• Hoffmann F, Cornelius M, Morell J, et al. Silica-based mesoporous organic–inorganic hybrid materials. Angew Chem Int Ed. 2006;45:3216–3251.10.1002/(ISSN)1521-3773
   PubMed Web of Science ®Google Scholar
• Pal N, Bhaumik A. Soft templating strategies for the synthesis of mesoporous materials: Inorganic, organic–inorganic hybrid and purely organic solids. Adv Coll Interface Sci. 2013;189–190:21–41.10.1016/j.cis.2012.12.002
   PubMed Web of Science ®Google Scholar
• Croissant JG, Cattoën X, Man MWC, et al. Syntheses and applications of periodic mesoporous organosilica nanoparticles. Nanoscale. 2015;7:20318–20334.10.1039/C5NR05649G
   PubMed Web of Science ®Google Scholar
• Hatton B, Landskron K, Whitnall W, et al. Past, present, and future of periodic mesoporous organosilicas – the PMOs. Acc Chem Res. 2005;38:305–312.10.1021/ar040164a
   PubMed Web of Science ®Google Scholar
• Mizoshita N, Tani T, Inagaki S. Syntheses, properties and applications of periodic mesoporous organosilicas prepared from bridged organosilane precursors. Chem Soc Rev. 2011;40:789–800.10.1039/C0CS00010H
   PubMed Web of Science ®Google Scholar
• Van Der Voort P, Esquivel D, De Canck E, et al. Periodic mesoporous organosilicas: from simple to complex bridges; a comprehensive overview of functions, morphologies and applications. Chem Soc Rev. 2013;42:3913–3955.10.1039/C2CS35222B
   PubMed Web of Science ®Google Scholar
• Inagaki S, Guan S, Ohsuna T, et al. An ordered mesoporous organosilica hybrid material with a crystal-like wall structure. Nature. 2002;416:304–307.10.1038/416304a
   PubMed Web of Science ®Google Scholar
• Futamura R, Jorge M, Gomes JRB. Structures and energetics of organosilanes in the gaseous phase: a computational study. Theoret Chem Acc. 2013;132:1323–1327.10.1007/s00214-012-1323-7
   Web of Science ®Google Scholar
• Futamura R, Jorge M, Gomes JRB. Role of the organic linker in the early stages of the templated synthesis of PMOs. Phys Chem Chem Phys. 2013;15:6166–6169.10.1039/c3cp50193 k
   PubMed Web of Science ®Google Scholar
• Attard GS, Glyde JC, Göltner CG. Liquid-crystalline phases as templates for the synthesis of mesoporous silica. Nature. 1995;378:366–368.10.1038/378366a0
   Web of Science ®Google Scholar
• Taddese T, Carbone P. Effect of Chain Length on the Partition Properties of Poly(ethylene oxide): Comparison between MARTINI Coarse-Grained and Atomistic Models. J Phys Chem B. 2017;121:1601–1609.10.1021/acs.jpcb.6b10858
   PubMed Web of Science ®Google Scholar
• Manning JRH, Yip TWS, Centi A, et al. An eco-friendly, tunable and scalable method for producing porous functional nanomaterials designed using molecular interactions. ChemSuschem. 2017;10:1683–1691.10.1002/cssc.201700027
   PubMed Web of Science ®Google Scholar
• Pérez-Sánchez G, Jorge M, Gomes JRB. Manuscript in preparation.
   Google Scholar